SCHEMBL3905933

SCHEMBL3905933

O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.77
PTPN22 Q9Y2R2 2/20 0.73
APEX1 P27695 1/20 0.71
MAP3K5 Q99683 4/20 0.71
EIF4E P06730 1/20 0.67
EIF4G1 Q04637 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
THRB P10828 1/20 0.67
RECQL P46063 1/20 0.67
KMT2A Q03164 1/20 0.67
MCL1 Q07820 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7859580 1.00 MAPT (0.77) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3904248 1.00 MAPT (0.77) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL7860584 0.91 MAPT (0.73) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL7859489 0.91 MAPT (0.72) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3903272 0.90 HIF1AN (0.80) MAPTMAP3K5EIF4EEIF4G1MEN1
SCHEMBL3903277 0.90 HIF1AN (0.80) MAPTMAP3K5EIF4EEIF4G1MEN1
SCHEMBL13056372 0.90 PTPN22 (0.72) MAPTPTPN22MAP3K5MEN1POLB
SCHEMBL3899067 0.89 MAPT (0.70) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL12676815 0.89 MAPT (0.70) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3899060 0.89 MAPT (0.70) MAPTPTPN22APEX1MAP3K5EIF4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 US claimed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 US claimed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP claimed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP claimed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO claimed
US-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY 2016-06-23 US disclosed
WO-2016025023-A1 A HIGH-THROUGHPUT ASSAY FOR IDENTIFYING SMALL MOLECULES THAT MODULATE AMP-ACTIVATED PROTEIN KINASE (AMPK) NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-02-18 WO disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 US disclosed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 US disclosed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP disclosed
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2002-05-02 US disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160176859-A1 High-Throughput Assay for Identifying Small Molecules that Modulate AMP-activated Protein Kinase (AMPK) PRKAA1, PRKAG2, PRKAA2 MAPT 2711/4885PTPN22 3272/4885APEX1 1919/4885
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MAPT 1526/4885PTPN22 3567/4885APEX1 3612/4885
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 MAPT 1187/4885PTPN22 3961/4885APEX1 1572/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MAPT 1526/4885PTPN22 3567/4885APEX1 3612/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAPT 880/4885PTPN22 3667/4885APEX1 888/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MAPT 1526/4885PTPN22 3567/4885APEX1 3612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.